Search

New bismuth (III) complexes with acetophenone-4-methyl-3-thiosemicarbazone (L) and halogens (Cl and Br) in both bridging and terminal positions have been synthesized and structurally characterized using single-crystal X-ray diffraction. The pure complexes (Cl or Br) were found to be highly isostructural, which motivated our attempts to create solid solutions of these complexes. A series of such compounds was prepared using various procedures and stoichiometries. A method for determining the mutual concentrations of different halogens, based on the positions of selected peaks in powder diffraction patterns, was tested and compared with other methods. [ABSTRACT FROM AUTHOR]

The antiproliferative and antibacterial activities of thiosemicarbazones increase markedly with the presence of metal ions. One of the factors determining the activity of metal thiosemicarbazone complexes is the coordination structure. In this study, the biological effects of new antimony (III) and bismuth (III) thiosemicarbazone complexes with different binding modes and geometrical structures were demonstrated. Three new complexes, with the formulae {[SbCl3(µ2-S-Hacptsc)(η1-S-Hacptsc)], 2/3H2O,1/3CH2Cl2}, {[SbCl3(κ2-S,N-Hacpmtsc)(η1-S-Hacpmtsc)2CH2Cl2]}, and{[BiCl3(η1-S-Hbzmtsc)3]·C2H5OH}, where Hacptsc: acetophenone thiosemicarbazone, Hacpmtsc: acetophenone-N-methyl thiosemicarbazone, Hbzmtsc: benzaldehyde-N-methyl thiosemicarbazone) were elucidated by different methods and deeply analyzed in accordance with their structure by X-ray structure analysis and Atoms-In-Molecules topological analysis. This analysis provided a deeper understanding of the coordination spheres of the Sb/Bi complexes. For instance, the first reported two binding modes of the same ligand are observed in a single crystal structure of antimony (III) halide complexes. Additionally, in one of the complexes, a solid-to-solid phase transition was detected and analyzed in detail. Those complexes, very unique in terms of their geometry, have also been tested for their in vitro cytotoxic activity against human adenocarcinoma cervical cancer (HeLa) cells, whereas antimony (III) complex 1is the most active complex of this study. Further, the antibacterial activity of the complexes has been screened against two Gram-negative (Pseudomonas aeruginosa and Escherichia coli) and two Gram-positive (Staphylococcus epidermidis and Staphylococcus aureus) pathogenic bacteria. From the results, it is found that all the complexes exhibited significant activity against the Gram-negative pathogenic bacteria. [ABSTRACT FROM AUTHOR]

Our previous studies demonstrated the modulatory effects of new synthetic thio-chalcone derivatives in dishes on the Nrf2, NF-κB, and STAT3 signaling pathways in colon cancer cells. This study aimed to evaluate the effect of four selected active chalcone thio-derivatives on the NF-κB and STAT3 signaling pathways involved in inflammatory processes and cell proliferation in human liver cancer cells. Cell survival was assessed for cancer (HepG2) and normal (THLE-2) cell lines. Activation of NF-κB and STAT3 signaling pathways and the expression of proteins controlled by these pathways were estimated by Western blot, and qRT-PCR assessed the expression of NF-κB and STAT3 target genes. We also evaluated the impact on the selected kinases responsible for the phosphorylation of the studied transcription factors by MagneticBead-Based Multiplex Immunoassay. Among the thio-derivatives tested, especially derivatives 1 and 5, there was an impact on cell viability, cell cycle, apoptosis, and activation of NF-κB and STAT3 pathways in hepatocellular carcinoma (HCC), which confirms the possibilities of using them in combinatorial molecular targeted therapy of HCC. The tested synthetic thio-chalcones exhibit anticancer activity by initiating proapoptotic processes in HCC while showing low toxicity to non-cancerous cells. These findings confirm the possibility of using chalcone thio-derivatives in molecularly targeted combination therapy for HCC. [ABSTRACT FROM AUTHOR]

This paper reports the synthesis and structural characterization of a novel azide-bridged polymeric manganese (III) Schiff base complex, using 2-((allylimino)methyl)-6-ethoxyphenol as a ligand. The crystal structure of the synthesized compound, elucidated by single-crystal X-ray diffraction analysis, indicates that it crystallizes in the monoclinic space group P21/c. The complex is found to display an octahedral geometry in which the central manganese Mn(III) coordinates with two bidentate donor Schiff base ligands via oxygen and nitrogen atoms. In addition, the metallic centers are linked together to form a one-dimensional chain bridged by end-to-end azide ligands. To offer a more thorough characterization of the synthesized compound, the study incorporates experimental data from FT-IR, UV-Vis, and cyclic voltammetry, alongside computational results from Hirshfeld surface analysis and DFT calculations conducted for both the ligand and complex. The computational analyses provided valuable insights into the intrachain and interchain interactions within the crystal structure, clarified the conformational characteristics of the isolated ligand molecule, and aided in the interpretation of the experimental IR spectra. Furthermore, an assessment of the compound's drug-like properties was conducted using activity spectra for substances (PASS) predictions, revealing potential pharmacological activities. [ABSTRACT FROM AUTHOR]

A comprehensive series of mononuclear Ln(III) complexes based on N3-tridentate Schiff-base ligand L have been synthesized using triflate or nitrate lanthanide(III) metal salts. X-ray structural characterization shows that the obtained complexes exhibit a variety of coordination modes around the Ln(III) centers tuned through appropriate counterions and reaction conditions. Examination of the above-mentioned factors reveals that, in the case of all lanthanide assemblies, we observe anion-driven structural diversity. Tuning of the crystal structure of the formed supramolecular systems is also highly influenced by the lanthanide contraction phenomenon, directly resulting in a series of isostructural groups, with general formulae of [ML2(OTf)nX3−n](OTf)3−n, if n = 2, X = MeCN (except for Yb), and if n = 1, X = MeOH in the triflate series, and [ML(NO3)3(X)](Y), where X and Y represent MeOH, MeCN or H2O, respectively, in the nitrate series. The present study gives insight into the lanthanide contraction phenomenon within the tridentate N-heterocyclic coordination architectures of Ln(III) systems and can serve for targeted manipulation of properties through molecular tectonics and crystal engineering aspects in the domains, where subtle changes of the Ln(III) coordination spheres are important like molecular magnetism or catalysis. [ABSTRACT FROM AUTHOR]

Three new nonporous mercury(II) coordination polymers (CPs) containing the ditopic 1,1′-(1,4-phenylene)bis(3-(pyridin-4-yl)urea) ligand (4,4-pbubp), namely, {[Hg(4,4-pbubp)Cl2](DMSO)3}n (CP1), {[Hg(4,4-pbubp)Br2](DMSO)3}n (CP2) and {[Hg(4,4-pbubp)I2](DMSO)4}n (CP3) were synthesized and characterized structurally through infrared analysis, elemental analysis (CHNS), TGA, PXRD and single-crystal X-ray diffraction analysis. All of these compounds formed 1D polymeric zigzag chains self-assembled in the crystal into higher-dimensional structures through various hydrogen-bonding interactions involving the urea functional group and several DMSO solvent molecules. These CPs were examined as potential adsorbents for the reversible uptake of iodine from the solution. Theoretical analysis of the adsorption kinetics and isotherms was applied to examine the iodine adsorption data. The results correlated effectively with the pseudo-second-order kinetic model and the Freundlich isotherm model. Our results showed that in this family, the iodine uptake capacity was dependent on the anion (CP1 > CP2 > CP3), and the compound which contained chloride anions (CP1) showed the highest capacity to remove iodine. The maximum uptake capacity of 262.01 mg g−1 iodine over CP1 at room temperature based on the Freundlich model was achieved. After iodine adsorption, compounds@I2 were characterized by scanning electron microscopy (SEM) and energy-dispersive X-ray analysis (EDAX) as well as Raman spectroscopy. [ABSTRACT FROM AUTHOR]

Inorganic–organic hybrid materials that combine both Polyoxometalates (POMs) and metal ion coordinating subunits (CSUs) represent promising multifunctional materials. Though their individual components are often biologically active, utilization of hybrid materials in bioassays significantly depends on the functionalization method and thus resulting stability of the system. Quite intriguingly, these aspects were very scarcely studied in hybrid materials based on the Wells–Dawson POM (WD POM) scaffold and remain unknown. We chose two model WD POM hybrid systems to establish how the functionalization mode (ionic vs. covalent) affects their stability in biological medium and interaction with nucleic acids. The synthetic scope and limitations of the covalent POM-terpyridine hybrids were demonstrated and compared with the ionic Complex-Decorated Surfactant Encapsulated-Clusters (CD-SECs) hybrids. The nature of POM and CSU binding can be utilized to modulate the stability of the hybrid and the extent of DNA binding. The above systems show potential to behave as model cargo-platforms for potential utilization in medicine and pharmacy. [ABSTRACT FROM AUTHOR]